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Journal of Chemical Theory and Computation|November 27, 2015
Computer Simulations of Peptides from the p53 DNA Binding DomainMey Khalili, David J Wales
The Journal of Physical Chemistry. B|February 6, 2008
Pathways for conformational change in nitrogen regulatory protein C from discrete path samplingMey Khalili, David J Wales
Annual Review of Physical Chemistry|October 13, 2006
Protein-folding dynamics: overview of molecular simulation techniquesHarold A Scheraga, Mey Khalili, Adam Liwo
Journal of Molecular Biology|December 6, 2005
Kinetic studies of folding of the B-domain of staphylococcal protein A with molecular dynamics and a united-residue (UNRES) model of polypeptide chainsMey Khalili, Adam Liwo, Harold A Scheraga
Proceedings of the National Academy of Sciences of the United States of America|January 29, 2005
Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chainsAdam Liwo, Mey Khalili, Harold A Scheraga
The Journal of Physical Chemistry. B|July 21, 2006
Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-bath dynamics and tests on model alpha-helical systemsMey Khalili, Adam Liwo, Anna Jagielska, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Molecular dynamics with the united-residue model of polypeptide chains. I. Lagrange equations of motion and tests of numerical stability in the microcanonical modeMey Khalili, Adam Liwo, Franciszek Rakowski, et al.
Protein Science : a Publication of the Protein Society|September 25, 2004
A united residue force-field for calcium-protein interactionsMey Khalili, Jeffrey A Saunders, Adam Liwo, et al.
Journal of Computational Chemistry|January 19, 2010
Symmetrization of the AMBER and CHARMM force fieldsEdyta Małolepsza, Birgit Strodel, Mey Khalili, et al.
The Journal of Physical Chemistry. B|January 5, 2007
Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteinsAdam Liwo, Mey Khalili, Cezary Czaplewski, et al.
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